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1264-57-9,MFCD00079131
Catalog No.:AA000SO2

1264-57-9 | Coenzyme A, S-decanoate

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Purity
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1mg
≥90%
in stock  
$46.00   $32.00
- +
5mg
≥90%
in stock  
$199.00   $139.00
- +
10mg
≥90%
in stock  
$348.00   $243.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000SO2
Chemical Name:
Coenzyme A, S-decanoate
CAS Number:
1264-57-9
Molecular Formula:
C31H56N7O18P3S
Molecular Weight:
939.7987
MDL Number:
MFCD00079131
SMILES:
CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O.O
Properties
Computed Properties
 
Complexity:
1520  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
9  
Rotatable Bond Count:
28  
XLogP3:
-1.6  

Downstream Synthesis Route
2645-22-9    38170-37-5    1264-57-9    19829-29-9   
C15H33N2O(1+) 

[1]Biochemistry,2010,vol.49,p.6219-6227

18198-76-0    1264-57-9   
hentriaconta-7<i>c</i>(?),24<i>c</i>(?)-dien-16-one 
  373-49-9    334-48-5    504-57-4   
C25H48O 

[1]JournalofBiologicalChemistry,2011,vol.286,p.10930-10938

[1]Locationinpatent:experimentalpartFrias,JaniceA.;Richman,JackE.;Erickson,JasmineS.;Wackett,LawrenceP.[JournalofBiologicalChemistry,2011,vol.286,#13,p.10930-10938]

[1]Locationinpatent:experimentalpartFrias,JaniceA.;Richman,JackE.;Erickson,JasmineS.;Wackett,LawrenceP.[JournalofBiologicalChemistry,2011,vol.286,#13,p.10930-10938]

[1]Locationinpatent:experimentalpartFrias,JaniceA.;Richman,JackE.;Erickson,JasmineS.;Wackett,LawrenceP.[JournalofBiologicalChemistry,2011,vol.286,#13,p.10930-10938]

Literature

Title: Towards a systematic analysis of human short-chain dehydrogenases/reductases (SDR): Ligand identification and structure-activity relationships.

Journal: Chemico-biological interactions 20150605

Title: Mechanism of Vibrio cholerae autoinducer-1 biosynthesis.

Journal: ACS chemical biology 20110415

Title: Acyl coenzyme A esters differentially activate cardiac and beta-cell adenosine triphosphate-sensitive potassium channels in a side-chain length-specific manner.

Journal: Metabolism: clinical and experimental 20031001

Title: Shimakata T, et al. Acetyl-CoA-dependent elongation of fatty acids in Mycobacterium smegmatis. J Biochem. 1977 Sep;82(3):725-32.

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SDS
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Tags:1264-57-9 Molecular Formula|1264-57-9 MDL|1264-57-9 SMILES|1264-57-9 Coenzyme A, S-decanoate